General Information of the Compound
| Compound ID |
CP0439323
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| Compound Name |
2-[4-[4-(butylcarbamoyl)-2-[(4-chlorophenyl)methylamino]phenoxy]-3-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C27H29ClN2O5
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| Molecular Weight |
496.991
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| Canonical SMILES |
CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NCc2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C27H29ClN2O5/c1-3-4-13-29-27(33)20-8-12-23(22(16-20)30-17-18-5-9-21(28)10-6-18)35-24-11-7-19(15-26(31)32)14-25(24)34-2/h5-12,14,16,30H,3-4,13,15,17H2,1-2H3,(H,29,33)(H,31,32)
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| InChIKey |
QBFZDOCPZLDATI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2